5-(azepan-1-ium-1-ylmethyl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

Systemtic Name: 5-(azepan-1-ium-1-ylmethyl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole Openeye Name: 5-(azepan-1-ium-1-ylmethyl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole CAS Name: 5-(1-azepan-1-iumylmethyl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole IUPAC Name: 5-(azepan-1-ium-1-ylmethyl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole Traditional Name: 5-(azepan-1-ium-1-ylmethyl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole Formula: C16H19F3N3O+ MolecularWeight: 326.33677

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=NC(=NO2)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1CCC[NH+](CC1)CC2=NC(=NO2)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C16H18F3N3O/c17-16(18,19)13-7-5-12(6-8-13)15-20-14(23-21-15)11-22-9-3-1-2-4-10-22/h5-8H,1-4,9-11H2/p+1